oxadiazole;phenazine

C14H10N4O — CID 174561801

IUPACoxadiazole;phenazine
SMILESc1ccc2nc3ccccc3nc2c1.c1conn1
InChIInChI=1S/C12H8N2.C2H2N2O/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-5-4-3-1/h1-8H;1-2H
InChIKeyPVFFHWWYBLYYPE-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.85
Rot. Bonds

About oxadiazole;phenazine

oxadiazole;phenazine (PubChem CID 174561801) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is oxadiazole;phenazine.

Molecular Properties

Compound Nameoxadiazole;phenazine
PubChem CID174561801
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Nameoxadiazole;phenazine
SMILESc1ccc2nc3ccccc3nc2c1.c1conn1
InChIInChI=1S/C12H8N2.C2H2N2O/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-5-4-3-1/h1-8H;1-2H
InChIKeyPVFFHWWYBLYYPE-UHFFFAOYSA-N
XLogP2.85
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

Oxadiazolyl quinoxaline
CID 57196444
Bipyridyl oxadiazole
CID 68452906
Oxadiazole;quinoxaline
CID 158486923
1,5-Naphthyridine;oxadiazole
CID 174574910
Acridine;oxadiazole
CID 174728574
phenazine;2H-triazole
CID 175243630

Frequently Asked Questions

What is the IUPAC name of oxadiazole;phenazine?
The IUPAC name of oxadiazole;phenazine (CID 174561801) is oxadiazole;phenazine.
What is the SMILES notation for oxadiazole;phenazine?
The canonical SMILES for oxadiazole;phenazine is c1ccc2nc3ccccc3nc2c1.c1conn1.
What is the InChIKey of oxadiazole;phenazine?
The InChIKey is PVFFHWWYBLYYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C2H2N2O/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-5-4-3-1/h1-8H;1-2H.
What are the key properties of oxadiazole;phenazine?
oxadiazole;phenazine has a molecular weight of 250.26 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazole;phenazine is sourced from PubChem (CID 174561801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).